methyl 2-amino-3-(4-methoxyphenyl)benzoate

C15H15NO3 — CID 171919931

IUPACmethyl 2-amino-3-(4-methoxyphenyl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc(OC)cc2)c1N
InChIInChI=1S/C15H15NO3/c1-18-11-8-6-10(7-9-11)12-4-3-5-13(14(12)16)15(17)19-2/h3-9H,16H2,1-2H3
InChIKeyRNPXKJYGWKMGQK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.73
Rot. Bonds3

About methyl 2-amino-3-(4-methoxyphenyl)benzoate

methyl 2-amino-3-(4-methoxyphenyl)benzoate (PubChem CID 171919931) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-amino-3-(4-methoxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-methoxyphenyl)benzoate
PubChem CID171919931
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 2-amino-3-(4-methoxyphenyl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc(OC)cc2)c1N
InChIInChI=1S/C15H15NO3/c1-18-11-8-6-10(7-9-11)12-4-3-5-13(14(12)16)15(17)19-2/h3-9H,16H2,1-2H3
InChIKeyRNPXKJYGWKMGQK-UHFFFAOYSA-N
XLogP2.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
methyl 2-amino-3-(4-methoxy-N-methylanilino)benzoate
CID 115545752
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
2-(4-methoxyphenyl)-6-methylaniline
CID 172649945
2-amino-3-methoxycarbonylbenzoic acid
CID 2794812
methyl 3-amino-2-(4-methoxyanilino)benzoate
CID 115933795
methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate
CID 141290737
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887239
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
methyl 2-amino-3-propanoylbenzoate
CID 134648415

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-methoxyphenyl)benzoate?
The IUPAC name of methyl 2-amino-3-(4-methoxyphenyl)benzoate (CID 171919931) is methyl 2-amino-3-(4-methoxyphenyl)benzoate.
What is the SMILES notation for methyl 2-amino-3-(4-methoxyphenyl)benzoate?
The canonical SMILES for methyl 2-amino-3-(4-methoxyphenyl)benzoate is COC(=O)c1cccc(-c2ccc(OC)cc2)c1N.
What is the InChIKey of methyl 2-amino-3-(4-methoxyphenyl)benzoate?
The InChIKey is RNPXKJYGWKMGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-11-8-6-10(7-9-11)12-4-3-5-13(14(12)16)15(17)19-2/h3-9H,16H2,1-2H3.
What are the key properties of methyl 2-amino-3-(4-methoxyphenyl)benzoate?
methyl 2-amino-3-(4-methoxyphenyl)benzoate has a molecular weight of 257.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-methoxyphenyl)benzoate is sourced from PubChem (CID 171919931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).